DyBiPd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1009543 · Space group: F-43m (#216)
Basic Information
Formula
DyBiPd
MP-ID
mp-1009543
Elements
3
Sites
3
Density
10.6655
g/cm³
Volume
74.41
ų
Cell a
4.7211
Å
Cell b
4.7211
Å
Cell c
4.7211
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.07 | 3.8547 | 15.1 | (1,1,1) |
| 26.70 | 3.3383 | 36.8 | (1,1,0) |
| 38.12 | 2.3605 | 100.0 | (2,1,1) |
| 45.03 | 2.0131 | 7.7 | (2,2,1) |
| 47.15 | 1.9274 | 11.0 | (2,2,2) |
| 55.01 | 1.6692 | 17.4 | (2,2,0) |
| 60.44 | 1.5317 | 3.2 | (3,2,2) |
| 62.18 | 1.4929 | 14.9 | (3,2,1) |
| 68.90 | 1.3629 | 35.7 | (3,3,2) |
| 73.74 | 1.2849 | 2.4 | (3,3,3) |
| 81.56 | 1.1803 | 11.4 | (4,2,2) |
| 86.17 | 1.1286 | 2.5 | (4,3,2) |
| 87.70 | 1.1128 | 7.8 | (4,3,3) |
Energy Properties
Formation Energy/atom
-1.04943
eV/atom
Energy/atom
-38.86427
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.8643
eV/atom
Volume/atom
24.80
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
7.8773
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.933%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4259
smaller = more stable mixing
VEC
8.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.566
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009543
Reference Citation
The crystal structure and related material properties of DyBiPd were obtained from the Materials Project database (MP-ID: mp-1009543, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_DyBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72106426
_cell_length_b 4.72106426
_cell_length_c 4.72106426
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyBiPd
_chemical_formula_sum 'Dy1 Bi1 Pd1'
_cell_volume 74.40544810
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy Dy0 1 0.50000000 0.50000000 0.50000000 1.0
Bi Bi1 1 0.00000000 0.00000000 -0.00000000 1.0
Pd Pd2 1 0.75000000 0.75000000 0.75000000 1.0
